SCHEMBL14815147

SCHEMBL14815147

O=C1[C@H]2C[C@@H](Oc3cnc(C4CC4)cn3)CN2CCN1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ LIPE Q05469 2/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ KCNN4 O15554 2/20 0.35
▸ DRD4 P21917 4/20 0.35
▸ SIGMAR1 Q99720 4/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14815117 1.00 KMT2A (0.39) KMT2ADRD3DRD2KCNH2POLB
SCHEMBL15793990 0.95 KMT2A (0.40) KMT2ADRD3DRD2KCNH2POLB
SCHEMBL15794255 0.95 KMT2A (0.40) KMT2ADRD3DRD2KCNH2POLB
SCHEMBL15793870 0.95 KMT2A (0.40) KMT2ADRD3DRD2KCNH2POLB
SCHEMBL15799689 0.95 KMT2A (0.40) KMT2ADRD3DRD2KCNH2POLB
SCHEMBL15794124 0.95 KMT2A (0.40) KMT2ADRD3DRD2KCNH2POLB
SCHEMBL14814788 0.90 LIPE (0.38) LIPELIPG
SCHEMBL14815276 0.90 LIPE (0.38) LIPELIPG
SCHEMBL14814948 0.87 KMT2A (0.41) KMT2ADRD3DRD2KCNH2POLB
SCHEMBL15793967 0.85 PIK3CA (0.35) LIPEHCRTR1HCRTR2LIPG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669255-B2 Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers ABBVIE INC. (US) 2014-03-11 — — US disclosed
WO-2013049164-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — WO disclosed
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1E, CACNA1D KMT2A 2999/4885DRD3 316/4885DRD2 307/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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